2-chloro-3-methoxy-4-morpholin-3-ylphenol

C11H14ClNO3 — CID 84802086

IUPAC2-chloro-3-methoxy-4-morpholin-3-ylphenol
SMILESCOc1c(C2COCCN2)ccc(O)c1Cl
InChIInChI=1S/C11H14ClNO3/c1-15-11-7(2-3-9(14)10(11)12)8-6-16-5-4-13-8/h2-3,8,13-14H,4-6H2,1H3
InChIKeyNCSJMAZGCMTYFC-UHFFFAOYSA-N
MW243.69 g/mol
LogP1.72
Rot. Bonds2

About 2-chloro-3-methoxy-4-morpholin-3-ylphenol

2-chloro-3-methoxy-4-morpholin-3-ylphenol (PubChem CID 84802086) has the molecular formula C11H14ClNO3 and a molecular weight of 243.69 g/mol. Its IUPAC name is 2-chloro-3-methoxy-4-morpholin-3-ylphenol.

Molecular Properties

Compound Name2-chloro-3-methoxy-4-morpholin-3-ylphenol
PubChem CID84802086
Molecular FormulaC11H14ClNO3
Molecular Weight243.69 g/mol
Exact Mass243.07
IUPAC Name2-chloro-3-methoxy-4-morpholin-3-ylphenol
SMILESCOc1c(C2COCCN2)ccc(O)c1Cl
InChIInChI=1S/C11H14ClNO3/c1-15-11-7(2-3-9(14)10(11)12)8-6-16-5-4-13-8/h2-3,8,13-14H,4-6H2,1H3
InChIKeyNCSJMAZGCMTYFC-UHFFFAOYSA-N
XLogP1.72
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.69
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-2-[(3S)-morpholin-3-yl]phenol
CID 131539104
5-methoxy-2-morpholin-3-ylphenol
CID 82612039
5-methoxy-2-[(3S)-morpholin-3-yl]phenol
CID 96773573
2-methoxy-3-morpholin-3-ylbenzoic acid
CID 175436476
5-chloro-2-morpholin-3-ylphenol
CID 82613253
3-methoxy-4-morpholin-3-ylphenol
CID 130022201
3-methoxy-2-[(3R)-morpholin-3-yl]phenol
CID 131502010
2-morpholin-3-ylphenol
CID 55294349
2-[(3R)-morpholin-3-yl]benzene-1,4-diol;hydrochloride
CID 171192528
3-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)morpholine
CID 116963158
2-chloro-4-morpholin-3-ylphenol
CID 82613251
5-fluoro-2-[(3S)-morpholin-3-yl]phenol
CID 55262699

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-methoxy-4-morpholin-3-ylphenol?
The IUPAC name of 2-chloro-3-methoxy-4-morpholin-3-ylphenol (CID 84802086) is 2-chloro-3-methoxy-4-morpholin-3-ylphenol.
What is the SMILES notation for 2-chloro-3-methoxy-4-morpholin-3-ylphenol?
The canonical SMILES for 2-chloro-3-methoxy-4-morpholin-3-ylphenol is COc1c(C2COCCN2)ccc(O)c1Cl.
What is the InChIKey of 2-chloro-3-methoxy-4-morpholin-3-ylphenol?
The InChIKey is NCSJMAZGCMTYFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO3/c1-15-11-7(2-3-9(14)10(11)12)8-6-16-5-4-13-8/h2-3,8,13-14H,4-6H2,1H3.
What are the key properties of 2-chloro-3-methoxy-4-morpholin-3-ylphenol?
2-chloro-3-methoxy-4-morpholin-3-ylphenol has a molecular weight of 243.69 g/mol, XLogP of 1.72, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-methoxy-4-morpholin-3-ylphenol is sourced from PubChem (CID 84802086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).